Found 1 result

Search term: (3,5-dihydroxyphenyl)acetyl-CoA (Found by synonym)
ChemSpider 2D Image | Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[2-(3,5-dihydroxyphenyl)acetyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen pho sphate), ion(4-) | C29H38N7O19P3S

Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[2-(3,5-dihydroxyphenyl)acetyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen pho sphate), ion(4-)

  • Molecular FormulaC29H38N7O19P3S
  • Average mass913.636 Da
  • Monoisotopic mass913.117798 Da
  • ChemSpider ID34999485

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[2-(3,5-dihydroxyphenyl)acetyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen pho sphate), ion(4-) [ACD/Index Name]
(3,5-dihydroxyphenyl)acetyl-CoA
3,5-dihydroxyphenylacetyl-CoA(4-)
3,5-dihydroxyphenylacetyl-coenzyme A(4-)
  • Miscellaneous

    • Chemical Class:

      An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3,5-dihydroxyphenylacetyl-CoA; major species at pH 7.3. ChEBI CHEBI:84554

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 12
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -3.58
ACD/LogD (pH 5.5): -10.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 470 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement